UCSF

ZINC05413211

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 4.51 -42.76 1 4 -1 77 225.264 6
Lo Low (pH 4.5-6) 0.57 2.54 -10.07 2 4 0 75 226.272 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0683232A1; EP0727492A2; EP0727492A3; EP1005324A1; EP1054065A1; EP1056469A1; EP1063299A2; EP1063300A2; US5436226; US5637484; US5968789; US6093391; WO1998056334A1; WO1998056348A1; WO1999008112A1; WO1999043343A1; WO2000013677A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )